Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset.
- DOI
- 10.1007/s10822-026-00929-9
- Published
- 2026 Aug 29
- Container
- Journal of computer-aided molecular design
- Publisher
- Not recorded
- Open access
- yes
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Cite this work
BibTeX
@article{allodium:10.1007/s10822-026-00929-9,
title = {Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset.},
author = {Tornesakis K and Essex JW and Cox PA and König G},
year = {2026},
journal = {Journal of computer-aided molecular design},
doi = {10.1007/s10822-026-00929-9},
url = {https://doi.org/10.1007/s10822-026-00929-9}
}RIS
TY - JOUR TI - Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset. AU - Tornesakis K AU - Essex JW AU - Cox PA AU - König G PY - 2026 JO - Journal of computer-aided molecular design DO - 10.1007/s10822-026-00929-9 UR - https://doi.org/10.1007/s10822-026-00929-9 ER -
APA
K, T., JW, E., PA, C., & G, K. (2026). Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset.. Journal of computer-aided molecular design. https://doi.org/10.1007/s10822-026-00929-9
Source records
- pubmed · retrieved 2026-09-26T10:10:03.001Z